Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVEPQEGKTRFHDFNLAPSLMHAIHDLGFPYCTPIQAQVLGFTLR--GQDAIGRAQTGTGKTAAFLISIITQLLQTPPPKERYMGEPRALIIAPTRELVVQIAKDAAALTKYT-GL---NVMTFVGGMDFDKQLKQLEARFCDILVATPGRLLDFNQRG-EVHLDMVEVMVLDEADRMLDMGFIPQVRQIIRQTPH-----KGERQTLLFSATFTDDVMNLAKQWTVDPAIVEIEPE----NVASDTVEQHVYAVAG-SDK----YKLLYNLVAQ-NNWERVMVFANRKDEVRRIEERLTKD---GISAAQMSGDVPQHKRIRTLEGFREGKIRVLVATDVAGRGIHIDGISHVINFTLPEDPDDYVHRIGRTGRAGASGTSISFAGEDDAFALPPIEELLGRKITCEMPPAELLKPVPRKH |
3I5X Chain:A ((78-457)) | --------------VLDKEIHKAITRMEFPGLTPVQQKTIKPILSSEDHDVIARAKTGTGKTFAFLIPIFQHLINTKFD---SQYMVKAVIVAPTRDLALQIEAEVKKIHDMNYGLKKYACVSLVGGTDFRAAMNKMNKLRPNIVIATPGRLIDVLEKYSNKFFRFVDYKVLDEADRLLEIGFRDDLETISGILNEKNSKSADNIKTLLFSATLDDKVQKLANNIMNKKECLFLDTVDKNEPEAHERIDQSVVISEKFANSIFAAVEHIKKQIKERDSNYKAIIFAPTVKFTSFLCSILKNEFKKDLPILEFHGKITQNKRTSLVKRFKKDESGILVCTDVGARGMDFPNVHEVLQIGVPSELANYIHRIGRTARSGKEGSSVLFICKDELPFVREL------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I5X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223098 for 2988 contacts (-74.7/contact) +
2D Compatibility (PS) -38945 + (NN) -23952 + (LL) 2812
1D Compatibility (HY) -27200 + (ID) 5300
Total energy: -315683.0 ( -105.65 by residue)
QMean score : 0.508
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